(4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one

Formula:C17H8NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one
MolecularFormula	C17H8NO4Br
Smiles	O=C(c1c2cccc1)O/C2=C1\N=C(c(cc2)ccc2Br)OC1=O
InChI	InChI=1S/C17H8BrNO4/c18-10-7-5-9(6-8-10)15-19-13(17(21)23-15)14-11-3-1-2-4-12(11)16(20)22-14/h1-8H
InChIK	VEGQMXULOSKVJX-UHFFFAOYSA-N
TotalMolweight	370.158
Molweight	370.158
MonoisotopicMass	368.96367
CLogP	2.7609
CLogS	-4.78
H Acceptors	5
TotalSurfaceArea	226.04
Relative PSA	0.25478
PolarSurfaceArea	64.96
Druglikeness	-1.3375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one | 2 - (4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one

Request More Details | (4Z)-2-(4-bromophenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments